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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-2ce3-pos_28_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.68406287; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_32_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -847.03471865; eV | |||
 | 4-Aug-2022 | /Sampling Au-4O-surfvac-3ce3-pos_31_33_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -846.88013464; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-bulkvac-2ce3-pos_29_32-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -843.57620273; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-bulkvac-2ce3-pos_30_32-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -843.47291862; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-bulkvac-2ce3-pos_30_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -843.55955066; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-bulkvac-2ce3-pos_28_33-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -843.50442601; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-bulkvac-2ce3-pos_29_31-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -843.50917357; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-bulkvac-2ce3-pos_30_31-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -843.51164195; eV | |||
 | 4-Aug-2022 | /Sampling pris-2O-nondefect-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -851.13053939; eV |
Results 23081-23090 of 101944 (Search time: 0.013 seconds).
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Subject
- 13581 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 Electrochemical CO₂ reduction
- 4232 N-Oxides
- 3914 Copper
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